New Material Design and Device Simulation Tool. Dr. Gong Kui HZWTECH

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1 New Material Design and Device Simulation Tool Dr. Gong Kui HZWTECH 鸿之微科技 ( 上海 ) 股份有限公司 HONGZHIWEI TECHNOLOGY(SHANGHAI) CO.,LTD

2 outline Atomistic-TCAD:new devices simulation tool Applications of Atomistic-TCAD What Atomistic-TCAD can do in future?

3 Atomistic-TCAD:New Device Simulation tool

4 New TCAD for Device: materials + quantum transport science engineering new quantum mechanics math, physics atomic simulations materials, chemistry, math, physics device modeling < 10nm (10000 atoms) Semi-empirical device modeling device parameters TCAD Atomistic-TCAD: quantitative predictions from atomic first principles without free parameter for realistic device structures.

5 New Characters of Devices Device performance not stability F.L. Yang et al., in VLSI Technol. Tech. Symp. Dig., pp. 208, June 2007.

6 New Characters of Devices Today s Device Process Design Traditional TCAD Foundries

7 New Characters of Devices Need more and more parameters

8 Challenge of device design: hard to get parameters Traditional TCAD: large number of parameters 1328 pages of parameters! Picture from Mansun Chan

9 Challenge of device design: hard to get parameters Quantum effect dominate transport properties

10 Challenge of device design: hard to get parameters New materials? Picture from Hong Guo

11 Challenge of device design: The complexity of the interface Defect / lattice mismatch / grain boundary lead to more problems defect mismatch

12 Challenge of device design: Heat conduction More heat transport problems in the scales

13 Atomistic-TCAD:New Device Simulation tool Quantum simulator: Full quantum description of electronic transport First principle prediction of material properties NEGF-DFT simulation I-V,C-V Curve (Atomistic TCAD) Atomistic-TCAD

14 Atomistic-TCAD:New Device Simulation tool How atomistic-tcad work? System left lead cell decomposed Central cell construct right lead cell Cell shape Atoms in cell Full quantum description of electronic transport First principle prediction of material properties NEGF-DFT simulation

15 Atomistic-TCAD:New Device Simulation tool FDSOI simulation Atomic Structure I V curves C V curves

16 Application of Atomistic-TCAD

17 Application of Atomistic-TCAD IEEE Trans. Elec. Dev. 60, 3527 (2013) atomistic-tcad vs. traditional TCAD 3D FETs, strain different surfaces, mobility, other materials, defects.

18 Application of Atomistic-TCAD :Design MOSFET with new material IEEE Trans. Elec. Dev. 61, 11 (2014)

19 Application of Atomistic-TCAD : Design TFET with new material

20 Application of Atomistic-TCAD :Design TFET with new material P type Source Gate HfO 2 N type Drain MoTe 2 SnS 2 HfO 2 Gate Monolayer TMDCs heterojunction with very low SS value

21 Application of Atomistic-TCAD :Design MTJ device Fe MgO Fe 1, 2, 3,...11,12,13 Red: x% on both layers 1 and 13. Black: 3% on 1, x% on 13. TMR = Green: 3% on 1, x% on 7, for a 7- layer MgO. Youqi Ke, Ke Xia and Hong Guo, PRL 105, (2010).

22 Application of Atomistic-TCAD: I off vs. dopant position little difference in I OFF is found I OFF decreases dramatically with increasing channel length. Transport properties depend sensitively on where the impurities are distributed. The ratio between G MAX and G MIN increases with L. Maasson, Zhu, H.G. (2011).

23 Atomistic-TCAD: High-k material design of HfO2 Gate Oxides Proposed structure to reduce tunneling leakage by rich oxygen J. Appl. Phys. 2014, 116,

24 Application of Atomistic-TCAD: Electromigration of copper Phosphorus to be an optimal surface electromigration inhibitor on Cu surface.

25 Application of Atomistic-TCAD: Investigate copper interconnect

26 Application of Atomistic-TCAD: Investigate copper interconnect (1) Doping of Cu surfaces Vision: Surface doping flattens the equipotential surface specular scattering Most exciting result: Al barrier coating reduces resistivity by 20%. (2) Doping of Cu grain boundaries Vision: Grain boundary doping reduces potential variation high boundary transmission This year s focus: First-principles prediction of resistance for many Cu grain boundaries vs doping concentration and doping element. Most promising : Doping reduces resistance of low-symmetry boundaries by up to 50%.

27 Conclusion: What Atomistic-TCAD can do in future? Extraction of physical quantity of Model; Extraction of electronic transport parameters; Design of dielectric layer; Research the interface effecting of device; Channel design and leakage control; Simulation the doping behavior; Analysis the effecting of stress in transport; Analysis of heat transport; Improvement or innovation of device structure; Process improvement or innovation; New materials (III-V) application;

28 THANKS! 鸿之微科技 ( 上海 ) 股份有限公司 HONGZHIWEI TECHNOLOYGY(SHANGHAI) CO.,LTD

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